0 B11R2.1 BrC1=NNC2=NC=CN=C12 SC-49416 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.1 C=C1CCC2=C1C=CC=C2 SC-92149 [0,0,0,0,0,0|2,0,2]=4 2 B11R2.1 CC1=CNC2=C1C=CC=N2 SC-43816 [0,0,0,0,0,0|2,0,2]=4 3 B11R2.1 CC1CCC2=C1C=CC=C2 SC-17184 [0,0,0,0,0,0|2,0,0]=2 4 B11R2.1 NC1CCC2=C1C=NC=C2 SC-14755 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SC-43763 [0,0,0,0,0,0|3,0,0]=3 6 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SC-44096 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.1 N[C@H]1COC2=CC=CC=C21 SC-85124 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.1 O=C1CCC2=C1C=CC=C2 SC-06902 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.1 O=C1CCC2=CC=CN=C12 SC-53183 [0,0,0,0,0,0|2,0,1]=3 10 B11R2.1 O=C1COC2=CC=CN=C12 SC-87703 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.1 OC1CCC2=CC=CN=C21 SC-48306 [0,0,0,0,0,0|2,0,0]=2 12 B11R2.1 [C@@H]1(N)CCC2=CC=CC=C21 SC-19643 [0,0,0,0,0,0|3,0,0]=3 13 B10R2.7 C1=CC2=C(C=C1)CCC2 SC-94184 [1,0,0,0,0,0|2,0,0]=3 14 B10R2.7 C1=CC2=C(C=C1)CNC2 SC-65764 [1,0,0,0,0,0|3,0,0]=4 15 B10R2.7 C1=CC2=C(CNC2)N=C1 SC-12785 [1,0,0,0,0,0|2,0,0]=3 16 B10R2.7 C1=CC2=C(N=C1)NCC2 SC-24219 [1,0,0,0,0,0|2,0,0]=3 17 B10R2.7 C1=CC=C2NCCC2=C1 SC-04816 [1,0,0,0,0,0|3,0,0]=4 18 B10R2.7 C1=CN=C2CCCC2=C1 SC-15374 [1,0,0,0,0,0|1,0,0]=2 19 B10R2.7 C1=CN=C2CCNC2=C1 SC-99599 [1,0,0,0,0,0|2,0,0]=3 20 B10R2.7 C1=CN=C2CNCC2=C1 SC-20133 [1,0,0,0,0,0|2,0,0]=3 21 B10R2.7 C1=CN=C2NC=CC2=N1 SC-21665 [1,0,0,0,0,0|1,0,2]=4 22 B12R2.18 [C@H]1(N)C2=CC=CC=C2C[C@H]1O SC-00677 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.132 N[C@@H]1CCC2=C1C=C(Br)C=C2 SC-A3542 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 SC-92757 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 SC-A3541 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.132 O=C1CCC2=C1N=C(Cl)C=C2 SC-48964 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.196 NC1CCC2=C1C=CC=C2Br SC-82281 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.196 OC1CCC2=C(Cl)C=CN=C21 SC-67156 [0,1,0,0,0,0|2,0,0]=3 29 B12R2.203 NC1CCC2=C1C(F)=CC=C2 SC-91946 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.612 CC1=CC2=C(C=C1)C(N)CC2 SC-91926 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 SC-82470 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 SC-11951 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 SC-A3322 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.612 OC1CCC2=C1C=CC(Br)=C2 SC-A2924 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 SC-31919 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.15 CC(CN)C1=CC=CC=C1 SC-69942 [0,0,1,0,0,0|3,0,0]=4 37 B10R1.15 CCC(N)C1=NC=CC=C1 SC-00692 [0,0,1,0,0,0|2,0,0]=3 38 B10R1.15 COC(=O)C1=NC=CN=C1 SC-68307 [0,0,1,0,0,0|2,0,1]=4 39 B10R1.15 NC(CO)C1=CC=CC=N1 SC-48164 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.15 NC(CO)C1=CC=CC=N1 SC-49243 [0,0,1,0,0,0|3,0,0]=4 41 B10R1.15 NC(CO)C1=CC=CN=C1 SC-92576 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.15 NC(CO)C1=CC=CN=C1 SC-93300 [0,0,1,0,0,0|3,0,0]=4 43 B10R1.15 NCC(O)C1=NC=CC=C1 SC-49075 [0,0,1,0,0,0|3,0,0]=4 44 B10R1.15 NCC(O)C1=NC=CC=C1 SC-A4287 [0,0,1,0,0,0|3,0,0]=4 45 B10R1.15 O=C(CBr)C1=NC=CN=C1 SC-48161 [0,0,1,0,0,0|2,0,1]=4 46 B10R1.15 [C@@H](N)(CC)C1=CC=CC=C1 SC-03309 [0,0,1,0,0,0|3,0,0]=4 47 B10R1.15 [C@H](N)(CC)C1=CC=CC=C1 SC-03999 [0,0,1,0,0,0|3,0,0]=4 48 B10R1.17 CCCC[N+]1=CC=CC=C1 SC-07618 [0,0,1,0,0,0|3,0,0]=4 49 B10R1.17 CCCC[N+]1=CC=CC=C1 SC-62348 [0,0,1,0,0,0|3,0,0]=4 50 B10R1.17 CCNCC1=CC=CC=C1 SC-18916 [0,0,1,0,0,0|3,0,0]=4 51 B10R1.17 CNCCC1=NC=CC=C1 SC-17881 [0,0,1,0,0,0|2,0,0]=3 52 B10R1.17 CNCCC1=NC=CC=C1 SC-46500 [0,0,1,0,0,0|2,0,0]=3 53 B10R1.17 ClCCCC1=CC=CC=N1 SC-54618 [0,0,1,0,0,0|2,0,0]=3 54 B10R1.17 ICCCC1=CC=CC=C1 SC-54412 [0,0,1,0,0,0|3,0,0]=4 55 B10R1.17 O=CCCC1=CN=CC=C1 SC-14308 [0,0,1,0,0,0|2,0,1]=4 56 B10R1.17 OCCCC1=CC=CC=C1 SC-26828 [0,0,1,0,0,0|3,0,0]=4 57 B10R1.20 CNC1=NC=CC=C1CO SC-93587 [0,0,1,0,0,0|3,0,0]=4 58 B10R1.20 COC1=C(CCl)N=CC=C1 SC-12895 [0,0,1,0,0,0|3,0,0]=4 59 B10R1.20 COC1=CC=CN=C1CBr SC-12896 [0,0,1,0,0,0|3,0,0]=4 60 B10R1.20 COC1=CC=CN=C1CO SC-22468 [0,0,1,0,0,0|3,0,0]=4 61 B10R1.20 COC1=NC=CC=C1CBr SC-50281 [0,0,1,0,0,0|3,0,0]=4 62 B10R1.20 COC1=NC=CC=C1CN SC-53036 [0,0,1,0,0,0|3,0,0]=4 63 B10R1.20 COC1=NC=CC=C1CO SC-83417 [0,0,1,0,0,0|3,0,0]=4 64 B10R1.20 ClCC1=CC=CN=C1CCl SC-90298 [0,0,1,0,0,0|3,0,0]=4 65 B10R1.20 OCC1=CC=CN=C1CO SC-49296 [0,0,1,0,0,0|3,0,0]=4 66 B10R1.61 CC(C)C1=C(Br)C=CC=C1 SC-13267 [0,0,1,0,0,0|3,0,0]=4 67 B10R1.61 CC(C)C1=NC=CC=C1N SC-A3792 [0,0,1,0,0,0|2,0,0]=3 68 B10R1.61 CC1=CC=CC=C1C(C)N SC-27309 [0,0,1,0,0,0|3,0,0]=4 69 B10R1.61 CC1=NC=CN=C1C(=O)O SC-28302 [0,0,1,0,0,0|2,0,1]=4 70 B10R2.32 OC1CCN2C=CN=C12 SC-20337 [0,0,0,0,1,0|2,0,0]=3 71 B12R2.24 CC1=CC2=C(C=CC=C2)CC1 SC-88943 [0,0,0,0,0,1|2,0,1]=4 72 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SC-01861 [0,0,0,0,0,1|2,0,0]=3 73 B12R2.24 NC1CCC2=CC=CC=C2C1 SC-23685 [0,0,0,0,0,1|3,0,0]=4 74 B12R2.1081 BrC1CCCC2=C1C=CC=C2 SC-88957 [0,0,0,0,0,1|3,0,0]=4 75 B12R2.1081 CC1=CCCC2=C1C=CC=C2 SC-88953 [0,0,0,0,0,1|2,0,1]=4 76 B12R2.1081 CC1CCCC2=C1C=CC=N2 SC-93149 [0,0,0,0,0,1|1,0,0]=2 77 B12R2.1081 CC1NCCC2=C1C=CC=C2 SC-53616 [0,0,0,0,0,1|2,0,0]=3 78 B12R2.1081 CN1CCCC2=C1C=CC=C2 SC-28600 [0,0,0,0,0,1|3,0,0]=4 79 B12R2.1081 NC1CCCC2=C1C=CC=C2 SC-21114 [0,0,0,0,0,1|3,0,0]=4 80 B12R2.1081 NC1CCCC2=C1N=CC=C2 SC-29540 [0,0,0,0,0,1|2,0,0]=3 81 B12R2.1081 NC1CCOC2=C1C=CC=C2 SC-23429 [0,0,0,0,0,1|3,0,0]=4 82 B12R2.1081 NC1COCC2=C1C=CC=C2 SC-27654 [0,0,0,0,0,1|3,0,0]=4 83 B12R2.1081 N[C@@H]1CCOC2=CC=CC=C21 SC-28249 [0,0,0,0,0,1|3,0,0]=4 84 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 SC-65639 [0,0,0,0,0,1|2,0,0]=3 85 B12R2.1081 N[C@H]1CCOC2=CC=CC=C21 SC-28370 [0,0,0,0,0,1|3,0,0]=4 86 B12R2.1081 O=C1CCCC2=C1C=CC=N2 SC-33091 [0,0,0,0,0,1|2,0,1]=4 87 B12R2.1081 O=C1CCCC2=C1N=CC=C2 SC-11409 [0,0,0,0,0,1|2,0,1]=4 88 B12R2.1081 O=C1CCOC2=C1N=CC=C2 SC-84669 [0,0,0,0,0,1|2,0,1]=4 89 B12R2.1081 O=C1NCCC2=C1N=CC=C2 SC-49713 [0,0,0,0,0,1|2,0,1]=4 90 B12R2.1081 OC1CNCC2=C1C=CC=C2 SC-89460 [0,0,0,0,0,1|3,0,0]=4 91 B12R2.1081 [C@@H]1(N)CCCC2=CC=CC=C21 SC-45076 [0,0,0,0,0,1|3,0,0]=4 92 B9R1.6 CC(=O)C1=NC=CN=C1 SC-02541 [1,0,1,0,0,0|1,0,1]=4 93 B9R1.6 CC(C)C1=NC=CC=N1 SC-87509 [1,0,1,0,0,0|2,0,0]=4 94 B9R1.6 CC(N)C1=NC=CC=C1 SC-27540 [1,0,1,0,0,0|2,0,0]=4 95 B9R1.6 CC(O)C1=CC=CN=C1 SC-97720 [1,0,1,0,0,0|2,0,0]=4 96 B9R1.6 CN(C)C1=CC=CN=C1 SC-A2189 [1,0,1,0,0,0|2,0,0]=4 97 B9R1.6 C[C@@H](N)C1=CC=CN=C1 SC-99593 [1,0,1,0,0,0|2,0,0]=4 98 B9R1.6 C[C@@H](N)C1=NC=CC=C1 SC-49655 [1,0,1,0,0,0|2,0,0]=4 99 B9R1.6 C[C@@H](O)C1=NC=CC=C1 SC-87924 [1,0,1,0,0,0|2,0,0]=4 100 B9R1.6 C[C@H](N)C1=CC=CN=C1 SC-71642 [1,0,1,0,0,0|2,0,0]=4 101 B9R1.6 C[C@H](O)C1=CC=CN=C1 SC-68106 [1,0,1,0,0,0|2,0,0]=4 102 B9R1.6 C[C@H](O)C1=NC=CC=C1 SC-68102 [1,0,1,0,0,0|2,0,0]=4 103 B9R1.8 BrCCC1=CN=CC=C1 SC-26255 [1,0,1,0,0,0|2,0,0]=4 104 B9R1.8 BrCCC1=NC=CC=C1 SC-20923 [1,0,1,0,0,0|2,0,0]=4 105 B9R1.8 BrCCC1=NC=CC=C1 SC-50758 [1,0,1,0,0,0|2,0,0]=4 106 B9R1.8 CCCC1=CC=CC=C1 SC-46265 [1,0,1,0,0,0|2,0,0]=4 107 B9R1.8 CNCC1=NC=CC=C1 SC-25824 [1,0,1,0,0,0|2,0,0]=4 108 B9R1.8 NCCC1=CC=CN=C1 SC-13407 [1,0,1,0,0,0|2,0,0]=4 109 B9R1.8 OCCC1=CC=CN=C1 SC-14117 [1,0,1,0,0,0|2,0,0]=4 110 B9R1.8 SCCC1=NC=CN=C1 SC-21708 [1,0,1,0,0,0|1,0,0]=3 111 B9R1.15 CC1=C(CN)C=CC=N1 SC-38022 [1,0,1,0,0,0|2,0,0]=4 112 B9R1.15 CC1=CC=CN=C1CCl SC-26339 [1,0,1,0,0,0|2,0,0]=4 113 B9R1.15 CC1=CC=CN=C1CO SC-34343 [1,0,1,0,0,0|2,0,0]=4 114 B9R1.15 CC1=NC=CC=C1CBr SC-14494 [1,0,1,0,0,0|2,0,0]=4 115 B9R1.15 CC1=NC=CC=C1CCl SC-34548 [1,0,1,0,0,0|2,0,0]=4 116 B9R1.15 CC1=NC=CC=C1CO SC-43786 [1,0,1,0,0,0|2,0,0]=4 117 B9R1.15 CCC1=CC=CN=C1N SC-12992 [1,0,1,0,0,0|2,0,0]=4 118 B9R1.15 CCC1=NC=CC=C1O SC-70214 [1,0,1,0,0,0|2,0,0]=4 119 B9R1.15 CCC1=NC=CNC1=O SC-A4119 [1,0,1,0,0,0|1,0,1]=4 120 B9R1.15 COC1=C(Cl)N=CC=N1 SC-04250 [1,0,1,0,0,0|2,0,0]=4 121 B9R1.15 COC1=CC=CN=C1C SC-03004 [1,0,1,0,0,0|2,0,0]=4 122 B9R1.15 COC1=NC=CN=C1Br SC-20870 [1,0,1,0,0,0|2,0,0]=4 123 B9R1.15 COC1=NC=CN=C1N SC-14963 [1,0,1,0,0,0|2,0,0]=4 124 B9R1.15 NCC1=NC=CN=C1Cl SC-34836 [1,0,1,0,0,0|2,0,0]=4 125 B9R1.15 NCC1=NC=CN=C1Cl SC-48937 [1,0,1,0,0,0|2,0,0]=4 126 B9R1.15 NCC1=NC=CN=C1Cl SC-69002 [1,0,1,0,0,0|2,0,0]=4 127 B9R1.15 NCC1=NC=CN=C1Cl SC-98140 [1,0,1,0,0,0|2,0,0]=4 128 B9R1.15 OCC1=NC=CN=C1Cl SC-34932 [1,0,1,0,0,0|2,0,0]=4 129 B11R1.12 CCB(CC)C1=CC=CN=C1 SC-47905 [0,1,1,0,0,0|2,0,0]=4 130 B11R1.22 CCC(C)C1=CC=C(Br)C=C1 SC-67422 [0,1,1,0,0,0|2,0,0]=4 131 B11R1.222 CCC(C)C1=CC=CC=C1N SC-A3087 [0,1,1,0,0,0|2,0,0]=4 132 B11R1.28 BrCCCCC1=CC=CC=C1 SC-13820 [0,1,1,0,0,0|2,0,0]=4 133 B11R1.28 CCCNCC1=CC=CC=C1 SC-65059 [0,1,1,0,0,0|2,0,0]=4 134 B11R1.28 N#CCCCC1=CN=CC=C1 SC-12264 [0,1,1,0,0,0|1,0,1]=4 135 B11R1.28 OCCCCC1=CC=CC=C1 SC-03572 [0,1,1,0,0,0|2,0,0]=4 136 B11R1.40 COC(=O)CC1=NC=CN=C1 SC-20912 [0,1,1,0,0,0|1,0,1]=4 137 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 SC-A2296 [0,1,1,0,0,0|2,0,0]=4 138 B11R1.37 CCC1=CC=C(C)C=C1CC SC-91644 [0,1,1,0,0,0|2,0,0]=4 139 B11R1.265 CCC1=C(CC)C(N)=CC=C1 SC-90610 [0,1,1,0,0,0|2,0,0]=4 140 B11R1.87 CC(C)(O)C1=CC=CN=C1F SC-27706 [0,1,1,0,0,0|2,0,0]=4 141 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 SC-A4066 [0,1,1,0,0,0|2,0,0]=4 142 B11R2.10 NC1CC2=C(C=CC=C2)C1 SC-20137 [1,1,0,0,0,0|2,0,0]=4 143 B11R2.10 OC1CC2=C(C=CC=C2)C1 SC-75383 [1,1,0,0,0,0|2,0,0]=4 144 B11R2.36 BrC1=CC2=C(C=C1)CCC2 SC-42754 [1,1,0,0,0,0|2,0,0]=4 145 B11R2.36 BrC1=CN=C2CNCC2=C1 SC-31285 [1,1,0,0,0,0|2,0,0]=4 146 B11R2.36 BrC1=CN=C2CNCC2=C1 SC-88708 [1,1,0,0,0,0|2,0,0]=4 147 B11R2.36 ClC1=CC=C2CNCC2=N1 SC-44115 [1,1,0,0,0,0|2,0,0]=4 148 B11R2.36 ClC1=CC=C2CNCC2=N1 SC-B8434 [1,1,0,0,0,0|2,0,0]=4 149 B11R2.36 NC1=CC2=C(C=C1)CCC2 SC-65591 [1,1,0,0,0,0|2,0,0]=4 150 B11R2.36 NC1=CN=C2CCCC2=C1 SC-21986 [1,1,0,0,0,0|1,0,0]=3 151 B11R2.106 BrC1=CC=CC2=C1CCC2 SC-A3149 [1,1,0,0,0,0|2,0,0]=4 152 B11R2.106 OC1=CC=CC2=C1CCC2 SC-50544 [1,1,0,0,0,0|2,0,0]=4 153 B13R2.32 CC1CCC2=C(C=CC=C2)C1=O SC-88362 [0,1,0,0,0,1|2,0,0]=4 154 B13R2.32 CC1CCC2=C(C=CC=C2)C1O SC-88948 [0,1,0,0,0,1|2,0,0]=4 155 B13R2.57 NCC1CCC2=C(C=CC=C2)O1 SC-97145 [0,1,0,0,0,1|2,0,0]=4 156 B13R2.1613 NCC1CCCC2=C1C=CC=C2 SC-82151 [0,1,0,0,0,1|2,0,0]=4 157 B13R2.3122 CC1(C)CCNC2=CC=CC=C21 SC-14645 [0,1,0,0,0,1|2,0,0]=4 158 B13R2.3122 CC1(N)CCNC2=C1C=CC=C2 SC-91166 [0,1,0,0,0,1|2,0,0]=4 159 B11R2.40 NC1(C2=CC=CC=N2)CC1 SC-34496 [0,0,1,1,0,0|2,0,0]=4 160 B11R2.40 NC1(C2=CC=CN=C2)CC1 SC-35566 [0,0,1,1,0,0|2,0,0]=4 161 B11R2.40 NC1(C2=CC=CN=C2)CC1 SC-82303 [0,0,1,1,0,0|2,0,0]=4 162 B11R2.20 C1=CC2=C(C=N1)CCCC2 SC-48065 [0,0,1,1,0,0|1,0,0]=3 163 B11R2.20 C1=CC2=C(C=N1)CCNC2 SC-88556 [0,0,1,1,0,0|2,0,0]=4 164 B11R2.20 C1=CC2=C(C=N1)CNCC2 SC-12784 [0,0,1,1,0,0|2,0,0]=4 165 B11R2.20 C1=CC2=C(CCCC2)N=C1 SC-00209 [0,0,1,1,0,0|1,0,0]=3 166 B11R2.20 C1=CC2=C(CCCN2)N=C1 SC-45671 [0,0,1,1,0,0|2,0,0]=4 167 B11R2.20 C1=CC2=C(CCNC2)N=C1 SC-30178 [0,0,1,1,0,0|2,0,0]=4 168 B11R2.20 C1=CC2=C(CCNC2)N=C1 SC-97837 [0,0,1,1,0,0|2,0,0]=4 169 B11R2.20 C1=CC2=C(CNCC2)N=C1 SC-16074 [0,0,1,1,0,0|2,0,0]=4 170 B11R2.20 C1=CC2=C(CNCC2)N=C1 SC-25654 [0,0,1,1,0,0|2,0,0]=4 171 B11R2.20 C1=CC2=C(CNCC2)N=C1 SC-94788 [0,0,1,1,0,0|2,0,0]=4 172 B11R2.20 C1=CN=C2CNCCC2=N1 SC-35629 [0,0,1,1,0,0|1,0,0]=3 173 B11R2.20 C1=NC=C2CCCCC2=N1 SC-82827 [0,0,1,1,0,0|2,0,0]=4 174 B11R2.20 C1=NC=C2CNCCC2=C1 SC-83224 [0,0,1,1,0,0|2,0,0]=4 175 B9R1.11 CC(CO)C1=NC=CN1 SC-89181 [0,0,1,0,1,0|1,0,1]=4 176 B9R2.50 C1=CC=C2CCC2=C1 SC-90846 [1,0,0,0,1,0|2,0,0]=4